SCHEMBL7112407

SCHEMBL7112407

Cc1c([O])cccc1C(C)OC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRM4 P08173 4/20 0.41
CHRM3 P20309 4/20 0.41
NPSR1 Q6W5P4 2/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM2 P08172 1/20 0.38
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7659411 0.81 L3MBTL1 (0.46) TDP1L3MBTL1CHRM4CHRM3MEN1
SCHEMBL11058318 0.80 ATM (0.41) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL9728263 0.80 HCAR2 (0.51) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL16965403 0.74 ATM (0.55) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL16964940 0.72 L3MBTL1 (0.52) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL7106164 0.71 L3MBTL1 (0.41) ATMTDP1L3MBTL1CHRM4CHRM3
Trolamine SCHEMBL11286441 0.70 HCAR2 (0.42) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL16965722 0.70 ATM (0.50) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL16965086 0.68 ATM (0.47) ATMTDP1L3MBTL1CHRM4CHRM3
SCHEMBL16964924 0.68 ATM (0.47) ATMTDP1L3MBTL1CHRM4CHRM3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed